2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

C17H17BrClNO2 — CID 7809627

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17BrClNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-8-7-14(18)9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyGLUGYNJBSHGZLH-GFCCVEGCSA-N
MW382.69 g/mol
LogP4.40
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (PubChem CID 7809627) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
PubChem CID7809627
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
SMILESC[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1
InChIInChI=1S/C17H17BrClNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-8-7-14(18)9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1
InChIKeyGLUGYNJBSHGZLH-GFCCVEGCSA-N
XLogP4.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.69
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914789
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-methylbutanoic acid
CID 81064088
(2S)-3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 107833666
2-(2-bromo-4-ethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164493
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9289898
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]methyl]pentanoic acid
CID 65218369
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7167691
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461596
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
[(2R)-2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937811

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide (CID 7809627) is 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide is C[C@H](CNC(=O)COc1ccc(Br)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
The InChIKey is GLUGYNJBSHGZLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-12(13-5-3-2-4-6-13)10-20-17(21)11-22-16-8-7-14(18)9-15(16)19/h2-9,12H,10-11H2,1H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide has a molecular weight of 382.69 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[(2S)-2-phenylpropyl]acetamide is sourced from PubChem (CID 7809627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).